SCHEMBL4726224

SCHEMBL4726224

C[N+](C)(CCOCc1ccccc1)Cc1nc(C(O)(c2ccccc2)C2CCCCC2)no1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 11/20 0.37
CHRM1 P11229 11/20 0.37
KCNH2 Q12809 5/20 0.37
SLC6A3 Q01959 4/20 0.37
CHRM3 P20309 9/20 0.36
LMNA P02545 4/20 0.36
CYP2D6 P10635 3/20 0.35
MEN1 O00255 4/20 0.34
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRM4 P08173 7/20 0.33
CHRM5 P08912 7/20 0.33
TSHR P16473 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
APAF1 O14727 3/20 0.33
USP2 O75604 3/20 0.33
TP53 P04637 3/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bromide SCHEMBL4728212 0.99 CHRM2 (0.36) CHRM2CHRM1KCNH2SLC6A3CHRM3
SCHEMBL4726435 0.94 CHRM3 (0.36) CHRM2CHRM1KCNH2SLC6A3CHRM3
SCHEMBL4726613 0.90 TSHR (0.35) CHRM2CHRM1KCNH2SLC6A3CHRM3
SCHEMBL4725321 0.85 HRH1 (0.39) CHRM2CHRM1KCNH2CHRM3CYP2D6
SCHEMBL4779634 0.84 CHRM3 (0.39) CHRM2CHRM1KCNH2SLC6A3CHRM3
Bromide SCHEMBL4725231 0.83 CHRM3 (0.38) CHRM2CHRM1KCNH2SLC6A3CHRM3
SCHEMBL4727245 0.81 CHRM2 (0.37) CHRM2CHRM1KCNH2SLC6A3CHRM3
SCHEMBL4727200 0.81 CHRM3 (0.35) CHRM2CHRM1KCNH2SLC6A3CHRM3
SCHEMBL4727450 0.81 CHRM3 (0.35) CHRM2CHRM1KCNH2SLC6A3CHRM3
Bromide SCHEMBL4726219 0.81 CHRM2 (0.36) CHRM2CHRM1KCNH2SLC6A3CHRM3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008023157-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS M3-RECEPTOR MODULATORS ARGENTA DISCOVERY LIMITED (GB) 2008-02-28 WO disclosed
WO-2008023157-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS M3-RECEPTOR MODULATORS ARGENTA DISCOVERY LIMITED (GB) 2008-02-28 WO disclosed